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Ligand

NameCHEMBL3618192
Molecular formulaC19H17ClF4N2O2
IUPAC name4-(4-chlorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
Molecular weight416.801
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50120575
SCHEMBL5911973
Inchi KeyAUIUQQYPUSEYDJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17ClF4N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27)
PubChem CID23071917
ChEMBLCHEMBL3618192
IUPHARN/A
BindingDB50120575
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
464672Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353

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